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Details

Stereochemistry ACHIRAL
Molecular Formula C14H22O
Molecular Weight 206.3239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BORONAL

SMILES

C\C(C=O)=C/CC1=C(C)CCCC1(C)C

InChI

InChIKey=FJCQUJKUMKZEMH-YRNVUSSQSA-N
InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+

HIDE SMILES / InChI

Approval Year

Name Type Language
BORONAL
Common Name English
2-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-
Systematic Name English
2-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (2E)-
Systematic Name English
1-CYCLOHEXENE-1-CROTONALDEHYDE, .ALPHA.,2,6,6-TETRAMETHYL-, (E)-
Systematic Name English
2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTENAL, (2E)-
Systematic Name English
2-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (E)-
Systematic Name English
2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTENAL
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
221-597-6
Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023
PRIMARY
FDA UNII
FM3V4NH1Y6
Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023
PRIMARY
CAS
3155-71-3
Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID9052000
Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023
PRIMARY
CAS
14398-40-4
Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023
PRIMARY
PUBCHEM
5369997
Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023
PRIMARY